8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid

C90H81N23O13S7 — CID 157411835

About 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid

8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid (PubChem CID 157411835) has the molecular formula C90H81N23O13S7 and a molecular weight of 1917.25 g/mol. Its IUPAC name is 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid.

Molecular Properties

• Compound Name: 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid
• PubChem CID: 157411835
• Molecular Formula: C90H81N23O13S7
• Molecular Weight: 1917.25 g/mol
• Exact Mass: 1915.44
• IUPAC Name: 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid
• SMILES: CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C(=O)O)nc2CC3)c1.CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C)nc2CC3)c1.CN(C)C(=O)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.Cc1cc(C)cc(Nc2ncc3c(n2)-c2sc(C(=O)O)nc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2sc(C(=O)O)nc2CC3)c1
• InChI: InChI=1S/C19H16N4O3S.C19H18N4OS.C18H18N6O3S2.C18H16N4O2S.C16H13N5O4S2/c1-10(24)7-11-3-2-4-13(8-11)21-19-20-9-12-5-6-14-16(15(12)23-19)27-17(22-14)18(25)26;1-11(24)8-13-4-3-5-15(9-13)22-19-20-10-14-6-7-16-18(17(14)23-19)25-12(2)21-16;1-24(2)17(25)16-22-13-7-6-10-9-20-18(23-14(10)15(13)28-16)21-11-4-3-5-12(8-11)29(19,26)27;1-9-5-10(2)7-12(6-9)20-18-19-8-11-3-4-13-15(14(11)22-18)25-16(21-13)17(23)24;17-27(24,25)10-3-1-2-9(6-10)19-16-18-7-8-4-5-11-13(12(8)21-16)26-14(20-11)15(22)23/h2-4,8-9H,5-7H2,1H3,(H,25,26)(H,20,21,23);3-5,9-10H,6-8H2,1-2H3,(H,20,22,23);3-5,8-9H,6-7H2,1-2H3,(H2,19,26,27)(H,20,21,23);5-8H,3-4H2,1-2H3,(H,23,24)(H,19,20,22);1-3,6-7H,4-5H2,(H,22,23)(H2,17,24,25)(H,18,19,21)
• InChIKey: BOJLNVMBHMBNJT-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 540.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.25
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

The IUPAC name of 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid (CID 157411835) is 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid.

What is the SMILES notation for 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

The canonical SMILES for 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid is CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C(=O)O)nc2CC3)c1.CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2sc(C)nc2CC3)c1.CN(C)C(=O)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.Cc1cc(C)cc(Nc2ncc3c(n2)-c2sc(C(=O)O)nc2CC3)c1.NS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2sc(C(=O)O)nc2CC3)c1.

What is the InChIKey of 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

The InChIKey is BOJLNVMBHMBNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S.C19H18N4OS.C18H18N6O3S2.C18H16N4O2S.C16H13N5O4S2/c1-10(24)7-11-3-2-4-13(8-11)21-19-20-9-12-5-6-14-16(15(12)23-19)27-17(22-14)18(25)26;1-11(24)8-13-4-3-5-15(9-13)22-19-20-10-14-6-7-16-18(17(14)23-19)25-12(2)21-16;1-24(2)17(25)16-22-13-7-6-10-9-20-18(23-14(10)15(13)28-16)21-11-4-3-5-12(8-11)29(19,26)27;1-9-5-10(2)7-12(6-9)20-18-19-8-11-3-4-13-15(14(11)22-18)25-16(21-13)17(23)24;17-27(24,25)10-3-1-2-9(6-10)19-16-18-7-8-4-5-11-13(12(8)21-16)26-14(20-11)15(22)23/h2-4,8-9H,5-7H2,1H3,(H,25,26)(H,20,21,23);3-5,9-10H,6-8H2,1-2H3,(H,20,22,23);3-5,8-9H,6-7H2,1-2H3,(H2,19,26,27)(H,20,21,23);5-8H,3-4H2,1-2H3,(H,23,24)(H,19,20,22);1-3,6-7H,4-5H2,(H,22,23)(H2,17,24,25)(H,18,19,21).

What are the key properties of 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid?

8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid has a molecular weight of 1917.25 g/mol, XLogP of 14.49, 20 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-dimethylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;1-[3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenyl]propan-2-one;8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid is sourced from PubChem (CID 157411835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).